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Miriam Mathea

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Theoretical and Computational Chemistry

MolPipeline : A python package for processing molecules with RDKit in scikit-learn

Jochen Sieg, Christian Wolfgang Feldmann, Jennifer Hemmerich, Conrad Stork, Frederik Sandfort, Philipp Eiden, Miriam Mathea

Version 1 posted 19 April 2024

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Theoretical and Computational Chemistry

Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang, Kyle Swanson, Wengong Jin, Connor Coley, philipp eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian P. Kelley, miriam mathea, Andrew Palmer, Volker Settels, Tommi S Jaakkola, Klavs F. Jensen, Regina Barzilay

Version 3 posted 30 July 2019

2,105

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